N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide

C9H9BrClNO2 — CID 171363899

IUPACN-(5-bromo-4-chloro-2-methoxyphenyl)acetamide
SMILESCOc1cc(Cl)c(Br)cc1NC(C)=O
InChIInChI=1S/C9H9BrClNO2/c1-5(13)12-8-3-6(10)7(11)4-9(8)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyROFWTUFTBXHHIT-UHFFFAOYSA-N
MW278.53 g/mol
LogP3.07
Rot. Bonds2

About N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide

N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide (PubChem CID 171363899) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-4-chloro-2-methoxyphenyl)acetamide
PubChem CID171363899
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC NameN-(5-bromo-4-chloro-2-methoxyphenyl)acetamide
SMILESCOc1cc(Cl)c(Br)cc1NC(C)=O
InChIInChI=1S/C9H9BrClNO2/c1-5(13)12-8-3-6(10)7(11)4-9(8)14-2/h3-4H,1-2H3,(H,12,13)
InChIKeyROFWTUFTBXHHIT-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate
CID 134113322
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
5-acetamido-2-chloro-4-methoxybenzoic acid
CID 112757038
N-(2,4,5-trimethoxyphenyl)acetamide
CID 54074808
N-(5-bromo-2-methoxy-4-nitrophenyl)acetamide
CID 71409389
N-(5-bromo-4-methoxy-2-methylphenyl)acetamide
CID 66766852
methyl 5-bromo-4-chloro-2-methoxybenzoate
CID 26370082
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
3-bromo-4-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 107999177
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
2-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 110687101

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide (CID 171363899) is N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide is COc1cc(Cl)c(Br)cc1NC(C)=O.
What is the InChIKey of N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide?
The InChIKey is ROFWTUFTBXHHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c1-5(13)12-8-3-6(10)7(11)4-9(8)14-2/h3-4H,1-2H3,(H,12,13).
What are the key properties of N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide?
N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide has a molecular weight of 278.53 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 171363899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).